Related papers: Single-gate tracking behavior in flat-band multila…
We calculate the properties of a graphene monolayer on the Ir(111) surface, using the model in which the periodicities of the two structures are assumed equal, instead of the observed slight mismatch which leads to a large superperiodic…
Multilayer van der Waals (vdWs) heterostructures assembled by diverse atomically thin layers have demonstrated a wide range of fascinating phenomena and novel applications. Understanding the interlayer coupling and its correlation effect is…
In an earlier work, it was shown that the dispersion of the van der Waals heterostructures (vdWHs) of graphene monolayer on 2D transition metal dichalcogenide (GrTMD) substrate comprises of the spin-split, gapped bands. Using these it was…
Electronic correlations stemming from nearly flat bands in van der Waals materials have demonstrated to be a powerful playground to engineer artificial quantum matter, including superconductors, correlated insulators and topological matter.…
Graphene devices require electric contacts with metals, particularly with gold. Scanning tunneling spectroscopy studies of electron local density of states performed on mono-, bi- and tri- graphene layer deposited on metallic conductive…
Graphene as a two-dimensional (2D) topological Dirac semimetal has attracted much attention for its outstanding properties and potential applications. However, three-dimensional (3D) topological semimetals for carbon materials are still…
Artifical superlattice (SL) potentials have been employed extensively for band structure engineering of two-dimensional (2D) Dirac electron gas in graphene. While such engineered electronic band structures can modify optical or plasmonic…
Vertical stacking of monolayers via van der Waals assembly is an emerging field that opens promising routes toward engineering physical properties of two-dimensional (2D) materials. Industrial exploitation of these engineering…
Both single layer Ga2O3 (SLGO) and graphene are attractive due to their respective electronic and mechanical properties such as wide bandgap and high electrical conductivity. Bringing them together by using van der Waals force to form a…
Graphene stacked in a Bernal configuration (60 degrees relative rotations between sheets) differs electronically from isolated graphene due to the broken symmetry introduced by interlayer bonds forming between only one of the two graphene…
In this work, we study structural and vibrational properties of multilayer graphene using density-functional theory (DFT) with van der Waals (vdW) functionals. Initially, we analyze how different vdW functionals compare by evaluating the…
Atomically thin van der Waals materials provide a highly tunable platform for exploring emergent quantum phenomena in solid state systems. Due to their remarkable mechanical strength, one enticing tuning knob is strain. However, the weak…
In this study, we use first-principles calculations to investigate the stacking-dependent electronic properties of GaSe/GaTe van der Waals heterobilayers. By analyzing five representative stacking configurations--AA, AA$'$, A$'$C, A$'$B,…
The electronic properties of doped bilayer graphene in presence of bottom and top gates have been studied and characterized by means of Density Functional Theory calculations. Varying independently the bottom and top gates it is possible to…
Van der Waals structures formed by aligning monolayer graphene with insulating layers of hexagonal boron nitride exhibit a moir\'e superlattice that is expected to break sublattice symmetry. Despite an energy gap of several tens of…
Twisted graphene multilayers have demonstrated to yield a versatile playground to engineer controllable electronic states. Here, by combining first-principles calculations and low-energy models, we demonstrate that twisted graphene…
Here we show that twisted graphene trilayer made by misoriented stacking a graphene monolayer on top of a Bernal graphene bilayer can exhibit rich and tailored electronic properties. For the case that the graphene monolayer and bilayer are…
Intrinsic rhombohedral graphene hosts an unusual low-energy electronic wavefunction, predominantly localized at its outer crystal faces with negligible presence in the bulk. Increasing the number of graphene layers amplifies the density of…
Compared to electronic phase transitions, structural phase transitions of crystals are challenging to control due to the energy cost of breaking dense solid bonds. Recently, however, electric field switching of stacking configuration…
Heavily doping graphene by intercalation can raise its Fermi level near an extended van Hove singularity, potentially inducing correlated electronic phases. Intercalation also modifies the band structure: dopants may hybridize with carbon…